[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene

C20H19O3PS — CID 90676738

IUPAC[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C20H19O3PS/c21-24(25-20-14-8-3-9-15-20,22-16-18-10-4-1-5-11-18)23-17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyCNTXVOSGFBQEAF-UHFFFAOYSA-N
MW370.41 g/mol
LogP6.32
Rot. Bonds8

About [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene

[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene (PubChem CID 90676738) has the molecular formula C20H19O3PS and a molecular weight of 370.41 g/mol. Its IUPAC name is [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene
PubChem CID90676738
Molecular FormulaC20H19O3PS
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C20H19O3PS/c21-24(25-20-14-8-3-9-15-20,22-16-18-10-4-1-5-11-18)23-17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyCNTXVOSGFBQEAF-UHFFFAOYSA-N
XLogP6.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dibutoxyphosphorylsulfanylbenzene
CID 12968047
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
dibenzyl hydrogen phosphate;silver
CID 85301331
[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
CID 67093206
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
bis(phenylmethoxy)phosphorylformonitrile
CID 57241641
[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
CID 28292
4-bis(phenylmethoxy)phosphorylbutan-1-ol
CID 170700837
[[bromo(difluoro)methyl]-phenylmethoxyphosphoryl]oxymethylbenzene
CID 19751870
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609

Frequently Asked Questions

What is the IUPAC name of [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene?
The IUPAC name of [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene (CID 90676738) is [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene?
The canonical SMILES for [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene is O=P(OCc1ccccc1)(OCc1ccccc1)Sc1ccccc1.
What is the InChIKey of [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene?
The InChIKey is CNTXVOSGFBQEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3PS/c21-24(25-20-14-8-3-9-15-20,22-16-18-10-4-1-5-11-18)23-17-19-12-6-2-7-13-19/h1-15H,16-17H2.
What are the key properties of [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene?
[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene has a molecular weight of 370.41 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 90676738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).